tert-butyl N-(2-amino-3-cyclopentylpropyl)carbamate

C13H26N2O2 — CID 84728252

IUPACtert-butyl N-(2-amino-3-cyclopentylpropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(N)CC1CCCC1
InChIInChI=1S/C13H26N2O2/c1-13(2,3)17-12(16)15-9-11(14)8-10-6-4-5-7-10/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyGMDUTACDSVQGBR-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.42
Rot. Bonds4

About tert-butyl N-(2-amino-3-cyclopentylpropyl)carbamate

tert-butyl N-(2-amino-3-cyclopentylpropyl)carbamate (PubChem CID 84728252) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl N-(2-amino-3-cyclopentylpropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-amino-3-cyclopentylpropyl)carbamate
PubChem CID84728252
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl N-(2-amino-3-cyclopentylpropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(N)CC1CCCC1
InChIInChI=1S/C13H26N2O2/c1-13(2,3)17-12(16)15-9-11(14)8-10-6-4-5-7-10/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyGMDUTACDSVQGBR-UHFFFAOYSA-N
XLogP2.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-trimethylsilylethyl N-[(2S)-2-amino-3-cyclohexylpropyl]carbamate;2-trimethylsilylethyl N-[(2S)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 69262733
tert-butyl N-[2-(cyclohexylmethyl)-3-oxopropyl]carbamate
CID 84730029
tert-butyl N-[(2S)-2-amino-2-cyclopropylethyl]carbamate
CID 67446222
tert-butyl N-[(2R)-3-cyclopropyl-2-hydroxypropyl]carbamate
CID 167726889
2-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 70184619
tert-butyl N-[2-(cyclopentylmethylamino)propyl]carbamate
CID 103387805
tert-butyl N-(2-amino-3-phosphanyloxypropyl)carbamate
CID 59704846
tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)butyl]carbamate
CID 107251071
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 97300299
tert-butyl N-[2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 67448024
tert-butyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate
CID 116861144

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-amino-3-cyclopentylpropyl)carbamate?
The IUPAC name of tert-butyl N-(2-amino-3-cyclopentylpropyl)carbamate (CID 84728252) is tert-butyl N-(2-amino-3-cyclopentylpropyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-amino-3-cyclopentylpropyl)carbamate?
The canonical SMILES for tert-butyl N-(2-amino-3-cyclopentylpropyl)carbamate is CC(C)(C)OC(=O)NCC(N)CC1CCCC1.
What is the InChIKey of tert-butyl N-(2-amino-3-cyclopentylpropyl)carbamate?
The InChIKey is GMDUTACDSVQGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(2,3)17-12(16)15-9-11(14)8-10-6-4-5-7-10/h10-11H,4-9,14H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl N-(2-amino-3-cyclopentylpropyl)carbamate?
tert-butyl N-(2-amino-3-cyclopentylpropyl)carbamate has a molecular weight of 242.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-amino-3-cyclopentylpropyl)carbamate is sourced from PubChem (CID 84728252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).